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Brc1cnc(nc1)C
Pyrimidine, 5-bromo-2-methyl-
CCCP1(=O)OP(=O)(CCC)OP(=O)(O1)CCC
1,3,5,2,4,6-Trioxatriphosphorinane, 2,4,6-tripropyl-, 2,4,6-trioxide
CC1(C)OB(OC1(C)C)B1OC(C(O1)(C)C)(C)C
2,2'-Bi-1,3,2-dioxaborolane, 4,4,4',4',5,5,5',5'-octamethyl-
O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.O=C(C=Cc1ccccc1)C=Cc1ccccc1.[Pd].[Pd]
Tris(dibenzylideneacetone)dipalladium
C1CCC(CC1)P(C1CCCCC1)C1CCCCC1.Cc1cc(C)c(c(c1)C)N1CCN(C1=[Ru](=Cc1ccccc1)(Cl)Cl)c1c(C)cc(cc1C)C
Ruthenium,[1,3-bis(2,4,6-trimethylphenyl)-2-imidazolidinylidene]dichloro(phenylmethylene)(tricyclohexylphosphine)-, (SP-5-41)-

2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol

OCCOCC[N+]1([O-])CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2 Request for Quotation
Chemical Name: 2-[2-(4-benzo[b][1,4]benzothiazepin-6-yl-1-oxidopiperazin-1-ium-1-yl)ethoxy]ethanol
CAS Number: 1076199-40-0
Product Number: AG007VUP(AGN-PC-05J453)
Synonyms:
MDL No:
Molecular Formula: C21H25N3O3S
Molecular Weight: 399.5065

Identification/Properties

Computed Properties
Molecular Weight:
399.509g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
6
Exact Mass:
399.162g/mol
Monoisotopic Mass:
399.162g/mol
Topological Polar Surface Area:
88.4A^2
Heavy Atom Count:
28
Formal Charge:
0
Complexity:
539
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information

NMR Spectrum

Other Analytical Data

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Chemical Structure


The compound 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]ethanol is a versatile tool in chemical synthesis due to its unique structure and reactivity. This compound can serve as a valuable building block in the creation of complex organic molecules, offering a pathway for the synthesis of various pharmaceuticals, agrochemicals, and functional materials.In chemical synthesis, 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]ethanol can be utilized as a key intermediate in the formation of heterocyclic compounds with potential biological activity. Its functional groups enable it to participate in a range of synthetic transformations, such as cross-coupling reactions, nucleophilic substitutions, and ring-closing reactions.Furthermore, the presence of the piperazine and thiazepine moieties in the structure of this compound imparts specific properties that can be harnessed in the design of new molecules with desired pharmacological or material characteristics. By judiciously manipulating the chemical environment around these functional groups, chemists can tailor the reactivity and properties of the final products, opening up avenues for the discovery of novel compounds with therapeutic potential.Overall, the application of 2-[2-(4-Dibenzo[b,f][1,4]thiazepin-11-yl-1-oxido-1-piperazinyl)ethoxy]ethanol in chemical synthesis offers a pathway for the efficient construction of diverse chemical entities with relevance in drug discovery, materials science, and other fields of chemical research.